mp-849796/NaZn4H18SClO16/harm

Harmonic properties

../../_images/fig_bandos_pr1708.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1688.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1708.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21541.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times2591.png

(a) Computation time